2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide

C18H25N3O4S — CID 139010685

IUPAC2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCOCc1ccc(C2CCCN2c2ncccc2S(=O)(=O)NC(C)C)o1
InChIInChI=1S/C18H25N3O4S/c1-13(2)20-26(22,23)17-7-4-10-19-18(17)21-11-5-6-15(21)16-9-8-14(25-16)12-24-3/h4,7-10,13,15,20H,5-6,11-12H2,1-3H3
InChIKeyUCTYOPZJJGWULJ-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.85
Rot. Bonds7

About 2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide

2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 139010685) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID139010685
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCOCc1ccc(C2CCCN2c2ncccc2S(=O)(=O)NC(C)C)o1
InChIInChI=1S/C18H25N3O4S/c1-13(2)20-26(22,23)17-7-4-10-19-18(17)21-11-5-6-15(21)16-9-8-14(25-16)12-24-3/h4,7-10,13,15,20H,5-6,11-12H2,1-3H3
InChIKeyUCTYOPZJJGWULJ-UHFFFAOYSA-N
XLogP2.85
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 154752897
(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 91661571
[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 124874162
5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690417
3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine
CID 139007267
3-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122032962
(2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol
CID 129381653
2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 114599572
2-(dimethylamino)-1-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]ethanone
CID 86796200
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 136532778
1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 45204429
4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023822

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide (CID 139010685) is 2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide is COCc1ccc(C2CCCN2c2ncccc2S(=O)(=O)NC(C)C)o1.
What is the InChIKey of 2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is UCTYOPZJJGWULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-13(2)20-26(22,23)17-7-4-10-19-18(17)21-11-5-6-15(21)16-9-8-14(25-16)12-24-3/h4,7-10,13,15,20H,5-6,11-12H2,1-3H3.
What are the key properties of 2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide?
2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 379.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 139010685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).